4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid

C11H12N2O3 — CID 170483911

IUPAC4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
SMILESNNC(=O)c1ccc(C=CCC(=O)O)cc1
InChIInChI=1S/C11H12N2O3/c12-13-11(16)9-6-4-8(5-7-9)2-1-3-10(14)15/h1-2,4-7H,3,12H2,(H,13,16)(H,14,15)
InChIKeyMCLLJRIGASACGO-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.78
Rot. Bonds4

About 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid

4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid (PubChem CID 170483911) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
PubChem CID170483911
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
SMILESNNC(=O)c1ccc(C=CCC(=O)O)cc1
InChIInChI=1S/C11H12N2O3/c12-13-11(16)9-6-4-8(5-7-9)2-1-3-10(14)15/h1-2,4-7H,3,12H2,(H,13,16)(H,14,15)
InChIKeyMCLLJRIGASACGO-UHFFFAOYSA-N
XLogP0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
4-phenylbut-3-enehydrazide
CID 173237990
1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170484314
4-[4-[[[(E)-N'-[[4-(3-carboxyprop-1-enyl)phenyl]methylideneamino]carbamimidoyl]hydrazinylidene]methyl]phenyl]but-3-enoic acid;hydrochloride
CID 118918790
4-(3-amino-4-methylphenyl)but-3-enoic acid
CID 170483298
(E)-4-(4-butylphenyl)but-3-enoic acid
CID 95442446
4-(4-acetyl-3-methylphenyl)but-3-enoic acid
CID 170483854
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
benzohydrazide;molybdenum
CID 162076561

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid?
The IUPAC name of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid (CID 170483911) is 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid.
What is the SMILES notation for 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid?
The canonical SMILES for 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid is NNC(=O)c1ccc(C=CCC(=O)O)cc1.
What is the InChIKey of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid?
The InChIKey is MCLLJRIGASACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-13-11(16)9-6-4-8(5-7-9)2-1-3-10(14)15/h1-2,4-7H,3,12H2,(H,13,16)(H,14,15).
What are the key properties of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid?
4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid is sourced from PubChem (CID 170483911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).